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CHEBI:168104 - Physalolactone B
| Formula | C30H44O6 |
| Net Charge | 0 |
| Average Mass | 500.676 |
| Monoisotopic Mass | 500.31379 |
| SMILES | CC(=O)OC1CC(O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C21C |
| InChI | InChI=1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3 |
| InChIKey | ANGCIHCSPJLGME-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Physalolactone B (CHEBI:168104) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| [17-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 26503394 | ChemSpider |
| HMDB0034200 | HMDB |
| LMST01160013 | LIPID MAPS |